N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H28F2N2O6S — CID 55619089

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCCOc1cc(CN(C)C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)ccc1OC(F)F
InChIInChI=1S/C23H28F2N2O6S/c1-3-31-21-13-16(6-11-20(21)33-23(24)25)15-27(2)22(28)17-7-9-19(10-8-17)34(29,30)26-14-18-5-4-12-32-18/h6-11,13,18,23,26H,3-5,12,14-15H2,1-2H3
InChIKeyGAAALERYQIGXFM-UHFFFAOYSA-N
MW498.55 g/mol
LogP3.42
Rot. Bonds11

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55619089) has the molecular formula C23H28F2N2O6S and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55619089
Molecular FormulaC23H28F2N2O6S
Molecular Weight498.55 g/mol
Exact Mass498.16
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCCOc1cc(CN(C)C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)ccc1OC(F)F
InChIInChI=1S/C23H28F2N2O6S/c1-3-31-21-13-16(6-11-20(21)33-23(24)25)15-27(2)22(28)17-7-9-19(10-8-17)34(29,30)26-14-18-5-4-12-32-18/h6-11,13,18,23,26H,3-5,12,14-15H2,1-2H3
InChIKeyGAAALERYQIGXFM-UHFFFAOYSA-N
XLogP3.42
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137149
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137150
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55612233
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119658054
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 55612264
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55619089) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CCOc1cc(CN(C)C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is GAAALERYQIGXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O6S/c1-3-31-21-13-16(6-11-20(21)33-23(24)25)15-27(2)22(28)17-7-9-19(10-8-17)34(29,30)26-14-18-5-4-12-32-18/h6-11,13,18,23,26H,3-5,12,14-15H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 498.55 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55619089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).